BDBM50666846 CHEMBL6174313

SMILES C=CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)CC1

InChI Key InChIKey=RHECGINYIHHGMQ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50666846   

TargetCyclin-dependent kinase 13/Cyclin-K(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50666846BDBM50666846(CHEMBL6174313)
Affinity DataIC50: 1.76E+3nMAssay Description:Inhibition of CDK13/Cyclin K (unknown origin) using pS7-CTD peptide and ATP as substrate incubated for 120 mins by ADP-Glo reagent based luminescence...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCyclin-dependent kinase 12(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50666846BDBM50666846(CHEMBL6174313)
Affinity DataIC50: 2.27E+3nMAssay Description:Inhibition of CDK12/Cyclin K (unknown origin) using pS7-CTD peptide and ATP as substrate incubated for 120 mins by ADP-Glo reagent based luminescence...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed